#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jox n GLY 3 N 0.00 1.28 0.26 0.00 0.00 -1.26 -4.59 105.19 100.88 2jox n GLY 3 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 2jox n GLY 3 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jox h ASP 4 N 0.00 0.00 0.08 1.61 3.32 -1.95 -2.58 116.42 116.90 2jox h ASP 4 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2jox h ASP 4 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2jox h ASP 4 CO 0.00 0.00 -0.05 0.00 -1.72 0.00 0.00 179.24 177.47 2jox s VAL 6 N -4.73 3.72 0.19 0.00 -7.23 -0.97 -0.79 120.40 110.58 2jox s VAL 6 Ca -0.05 -0.47 -0.09 0.00 -1.81 0.00 0.00 61.98 59.56 2jox s VAL 6 Cb 0.16 -2.52 0.10 0.00 0.56 0.00 0.00 36.38 34.67 2jox s VAL 6 CO 0.62 0.60 1.70 -0.08 -0.31 0.00 0.00 175.10 177.63 2jox h GLU 7 N 5.24 1.07 -4.53 4.82 4.81 -0.94 -3.44 114.58 121.61 2jox h GLU 7 Ca -0.49 -0.26 -0.35 0.00 -0.13 0.00 0.00 59.36 58.13 2jox h GLU 7 Cb 1.17 -0.14 -0.27 0.00 0.63 0.00 0.00 28.75 30.14 2jox h GLU 7 CO 0.52 0.96 -0.76 0.15 -0.73 0.00 0.00 179.01 179.16 2jox s LYS 8 N -5.29 0.56 -0.15 1.92 1.02 -1.26 -5.12 119.74 111.43 2jox s LYS 8 Ca -0.12 -0.33 -0.28 0.00 0.02 0.00 0.00 55.97 55.26 2jox s LYS 8 Cb 0.14 -0.52 -0.01 0.00 -0.52 0.00 0.00 37.83 36.92 2jox s LYS 8 CO 0.84 0.14 0.96 -1.21 -0.92 0.00 0.00 175.35 175.15 2jox s GLU 9 N -0.38 4.36 -1.15 1.68 2.02 -1.26 -4.26 118.70 119.71 2jox s GLU 9 Ca 0.01 1.27 -0.25 0.00 0.02 0.00 0.00 54.97 56.02 2jox s GLU 9 Cb -0.04 -3.57 0.01 0.00 0.10 0.00 0.00 34.13 30.63 2jox s GLU 9 CO -0.00 -0.37 0.76 0.66 0.02 0.00 0.00 175.26 176.33 2jox n TYR 10 N 5.29 -1.76 -1.91 1.61 4.02 -0.90 -4.92 117.16 118.59 2jox n TYR 10 Ca 0.08 0.34 -0.39 0.00 -0.01 0.00 0.00 57.90 57.92 2jox n TYR 10 Cb 0.48 -3.22 0.01 0.00 -0.02 0.00 0.00 39.34 36.60 2jox n TYR 10 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2jox s PRO 11 N -6.39 3.64 0.34 -0.72 0.04 -1.26 -3.69 135.00 126.95 2jox s PRO 11 Ca 0.47 2.23 -0.26 0.00 0.04 0.00 0.00 61.00 63.48 2jox s PRO 11 Cb -0.20 -2.56 -0.09 0.00 0.04 0.00 0.00 34.50 31.69 2jox s PRO 11 CO 0.90 -0.79 1.02 -0.80 0.04 0.00 0.00 177.00 177.36 2jox s ASN 12 N -0.77 7.13 -0.27 6.66 0.02 -1.26 -1.04 114.94 125.41 2jox s ASN 12 Ca 0.63 2.01 0.09 0.00 -1.02 0.00 0.00 52.86 54.57 2jox s ASN 12 Cb -0.40 -2.59 0.47 0.00 0.02 0.00 0.00 41.25 38.75 2jox s ASN 12 CO 0.50 -0.23 1.36 0.54 0.02 0.00 0.00 177.10 179.29 2jox n ARG 13 N 0.52 1.87 -1.03 -0.60 5.12 -1.26 -4.93 116.66 116.35 2jox n ARG 13 Ca 0.02 -3.32 -0.04 0.00 -1.93 0.00 0.00 57.85 52.59 2jox n ARG 13 Cb 0.49 -1.78 -0.02 0.00 -1.16 0.00 0.00 32.46 29.99 2jox n ARG 13 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jox n GLY 14 N -1.09 0.37 0.00 -0.13 0.00 -1.26 -1.76 105.19 101.31 2jox n GLY 14 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2jox n GLY 14 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jox n ASN 15 N -0.71 0.00 -4.64 1.61 6.94 -1.26 -5.04 115.26 112.16 2jox n ASN 15 Ca -0.04 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 54.10 2jox n ASN 15 Cb 0.48 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.88 2jox n ASN 15 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2jox s THR 16 N -1.90 3.65 -0.25 5.53 2.01 -0.73 -4.32 115.64 119.64 2jox s THR 16 Ca 0.00 0.76 0.02 0.00 0.31 0.00 0.00 61.69 62.78 2jox s THR 16 Cb 0.00 -3.59 0.06 0.00 0.01 0.00 0.00 72.50 68.98 2jox s THR 16 CO 0.00 -0.18 -0.08 0.00 -0.69 0.00 0.00 174.62 173.66 2jox s LEU 18 N 1.25 2.29 0.00 0.00 1.02 -1.26 -4.98 118.68 117.00 2jox s LEU 18 Ca -0.07 -0.71 0.22 0.00 0.02 0.00 0.00 54.13 53.60 2jox s LEU 18 Cb -0.19 -1.11 0.26 0.00 0.02 0.00 0.00 46.19 45.17 2jox s LEU 18 CO -0.06 0.15 1.27 -1.84 0.02 0.00 0.00 176.35 175.90 2jox n GLU 19 N 1.09 2.25 -4.03 1.70 0.00 -1.26 -4.70 120.64 115.68 2jox n GLU 19 Ca -0.18 -1.99 -0.08 0.00 0.00 0.00 0.00 57.16 54.91 2jox n GLU 19 Cb 0.53 -1.45 -0.10 0.00 0.00 0.00 0.00 31.44 30.42 2jox n GLU 19 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2jox s ASN 20 N -1.71 0.38 0.00 -1.84 0.01 -1.26 -5.08 114.94 105.45 2jox s ASN 20 Ca 0.30 -0.85 0.00 0.00 -0.71 0.00 0.00 52.86 51.60 2jox s ASN 20 Cb 0.20 0.22 0.00 0.00 0.41 0.00 0.00 41.25 42.07 2jox s ASN 20 CO 0.29 -0.59 0.00 0.61 -1.51 0.00 0.00 177.10 175.90 2jox n GLY 21 N 0.28 -2.85 3.00 0.66 0.00 -1.26 -5.02 105.19 99.99 2jox n GLY 21 Ca -0.16 -1.94 -0.14 0.00 0.00 0.00 0.00 46.02 43.79 2jox n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jox s SER 22 N -2.22 0.21 -1.25 1.61 0.01 -1.26 -5.05 113.70 105.75 2jox s SER 22 Ca 0.00 0.53 -0.19 0.00 1.31 0.00 0.00 55.95 57.60 2jox s SER 22 Cb 0.00 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.77 2jox s SER 22 CO 0.00 -0.22 1.86 0.33 0.41 0.00 0.00 173.24 175.63 2jox n PHE 23 N 4.99 3.76 0.14 2.43 7.35 -1.26 -4.84 117.46 130.02 2jox n PHE 23 Ca -0.12 -2.35 0.19 0.00 -0.76 0.00 0.00 57.45 54.41 2jox n PHE 23 Cb 0.51 -2.56 0.76 0.00 0.35 0.00 0.00 39.48 38.53 2jox n PHE 23 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2jox h LEU 24 N 14.02 0.00 -0.61 -2.13 3.38 -1.95 -0.62 115.31 127.40 2jox h LEU 24 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2jox h LEU 24 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2jox h LEU 24 CO 1.46 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 179.92 2jox h LEU 25 N 0.00 0.00 0.00 1.67 3.38 -1.99 -3.26 115.31 115.11 2jox h LEU 25 Ca 0.16 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.86 2jox h LEU 25 Cb 0.97 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 2jox h LEU 25 CO -0.00 0.00 -2.02 -3.20 0.09 0.00 0.00 178.44 173.31 2jox n ASN 26 N -2.65 1.69 -4.57 -0.43 5.15 -0.32 -4.90 115.26 109.23 2jox n ASN 26 Ca 0.03 -0.03 -0.40 0.00 -0.60 0.00 0.00 54.58 53.58 2jox n ASN 26 Cb 0.36 0.56 -0.03 0.00 -0.53 0.00 0.00 39.78 40.14 2jox n ASN 26 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2jox s PHE 27 N -2.36 1.51 -1.43 1.20 5.36 -0.72 -0.29 117.98 121.25 2jox s PHE 27 Ca -0.12 0.86 0.30 0.00 -0.96 0.00 0.00 56.93 57.01 2jox s PHE 27 Cb 0.05 -3.97 1.41 0.00 -0.34 0.00 0.00 43.02 40.17 2jox s PHE 27 CO 0.56 -2.84 1.99 0.25 -1.46 0.00 0.00 175.22 173.71 2jox n THR 28 N 7.54 0.00 0.00 0.12 -2.24 0.03 -4.86 114.28 114.86 2jox n THR 28 Ca 0.26 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 2jox n THR 28 Cb 0.50 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 2jox n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jox n GLY 29 N 1.31 2.39 3.36 3.38 0.00 -1.23 -4.83 105.19 109.57 2jox n GLY 29 Ca 0.14 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 2jox n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jox n ALA 31 N -3.93 1.84 0.06 0.00 0.00 -1.26 -3.10 120.51 114.12 2jox n ALA 31 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 2jox n ALA 31 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 2jox n ALA 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jox h VAL 32 N 0.00 1.41 0.00 0.00 2.07 -1.99 -3.40 116.25 114.34 2jox h VAL 32 Ca 0.00 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.15 2jox h VAL 32 Cb 0.00 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2jox h VAL 32 CO 0.00 0.71 -0.11 0.00 0.02 0.00 0.00 177.57 178.19 2jox n SER 34 N -0.42 -2.93 -4.83 0.00 2.88 -1.18 -5.04 113.62 102.11 2jox n SER 34 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2jox n SER 34 Cb 0.00 -0.49 -0.06 0.00 -0.75 0.00 0.00 64.21 62.91 2jox n SER 34 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2jox s LYS 35 N -1.73 3.97 0.29 -1.46 -0.14 -1.26 -4.68 119.74 114.73 2jox s LYS 35 Ca 0.00 0.44 0.09 0.00 -1.36 0.00 0.00 55.97 55.15 2jox s LYS 35 Cb 0.00 -3.23 -0.04 0.00 -1.68 0.00 0.00 37.83 32.87 2jox s LYS 35 CO 0.00 0.66 0.03 0.50 -0.76 0.00 0.00 175.35 175.78 2jox s ARG 36 N -1.00 2.29 -1.10 1.68 3.52 -1.26 -0.41 118.95 122.67 2jox s ARG 36 Ca 0.24 -1.49 0.00 0.00 -0.13 0.00 0.00 55.73 54.36 2jox s ARG 36 Cb -0.17 -2.14 0.00 0.00 -1.56 0.00 0.00 34.95 31.08 2jox s ARG 36 CO 0.14 0.28 0.00 -0.40 -0.81 0.00 0.00 175.30 174.50 2jox n ASP 37 N -0.96 -3.69 -3.95 -2.12 5.68 -1.26 -4.94 116.55 105.29 2jox n ASP 37 Ca -0.05 0.22 -0.31 0.00 -0.50 0.00 0.00 54.79 54.15 2jox n ASP 37 Cb 0.60 -3.22 -0.15 0.00 -1.14 0.00 0.00 41.12 37.21 2jox n ASP 37 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2jox s PHE 38 N -2.46 3.30 -0.03 2.11 0.40 -1.26 -5.05 117.98 114.99 2jox s PHE 38 Ca 0.00 -2.76 -0.30 0.00 -0.60 0.00 0.00 56.93 53.27 2jox s PHE 38 Cb 0.00 -2.67 0.07 0.00 0.51 0.00 0.00 43.02 40.93 2jox s PHE 38 CO 0.00 -0.92 0.66 0.00 0.70 0.00 0.00 175.22 175.66 2jox s MET 39 N 0.96 1.06 0.27 0.44 0.23 -1.26 -2.70 119.30 118.30 2jox s MET 39 Ca 0.11 0.18 0.05 0.00 -1.03 0.00 0.00 55.69 55.00 2jox s MET 39 Cb -0.19 0.50 -0.06 0.00 -1.53 0.00 0.00 34.83 33.55 2jox s MET 39 CO -0.11 -0.34 -0.02 -0.51 -2.03 0.00 0.00 175.02 172.01 2jox s LEU 40 N -1.33 2.34 -0.04 0.18 2.01 0.36 -4.74 118.68 117.46 2jox s LEU 40 Ca -0.10 -1.23 0.03 0.00 0.01 0.00 0.00 54.13 52.84 2jox s LEU 40 Cb -0.00 -0.47 0.00 0.00 0.01 0.00 0.00 46.19 45.73 2jox s LEU 40 CO 0.08 -0.45 -0.14 -0.63 1.01 0.00 0.00 176.35 176.22 2jox s ILE 41 N -3.20 1.17 0.26 -0.59 1.01 -1.26 -0.89 121.20 117.70 2jox s ILE 41 Ca 0.30 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 60.32 2jox s ILE 41 Cb 0.05 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.49 2jox s ILE 41 CO 0.11 0.35 0.38 0.28 0.00 0.00 0.00 174.94 176.06 2jox s THR 42 N 0.15 0.00 -0.91 2.92 -1.32 -1.19 -4.94 115.64 110.36 2jox s THR 42 Ca -0.05 -1.63 0.00 0.00 -1.21 0.00 0.00 61.69 58.80 2jox s THR 42 Cb -0.11 -2.40 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 2jox s THR 42 CO 0.02 0.00 0.00 -0.46 -2.21 0.00 0.00 174.62 171.97 2jox n ASN 43 N -0.62 -5.31 -4.51 8.08 2.04 -1.26 -3.50 115.26 110.18 2jox n ASN 43 Ca 0.00 0.21 -0.51 0.00 -0.44 0.00 0.00 54.58 53.85 2jox n ASN 43 Cb 0.63 -3.82 -0.07 0.00 -2.53 0.00 0.00 39.78 34.00 2jox n ASN 43 CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99 2jox n LYS 44 N -0.51 1.27 -4.13 -3.83 4.81 -1.26 -4.80 118.16 109.71 2jox n LYS 44 Ca -0.09 0.38 -0.25 0.00 -0.87 0.00 0.00 58.31 57.48 2jox n LYS 44 Cb 0.54 -2.48 -0.06 0.00 0.02 0.00 0.00 35.03 33.05 2jox n LYS 44 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2jox s SER 45 N 6.53 5.26 -0.01 3.14 0.01 0.23 -5.01 113.70 123.86 2jox s SER 45 Ca 1.06 -0.25 -0.00 0.00 1.31 0.00 0.00 55.95 58.06 2jox s SER 45 Cb -0.84 -1.29 0.01 0.00 0.21 0.00 0.00 66.02 64.12 2jox s SER 45 CO 0.51 0.05 0.02 -0.22 0.41 0.00 0.00 173.24 174.00 2jox s LEU 46 N -3.23 1.76 0.04 2.44 0.20 -1.26 -1.51 118.68 117.11 2jox s LEU 46 Ca 0.30 0.03 0.04 0.00 0.69 0.00 0.00 54.13 55.20 2jox s LEU 46 Cb -0.09 0.02 -0.02 0.00 -0.43 0.00 0.00 46.19 45.67 2jox s LEU 46 CO 0.22 -0.03 -0.12 -0.75 -0.29 0.00 0.00 176.35 175.38 2jox s LYS 47 N 0.24 0.80 -0.10 1.98 2.20 0.00 -5.00 119.74 119.87 2jox s LYS 47 Ca -0.02 -0.74 -0.03 0.00 -0.36 0.00 0.00 55.97 54.82 2jox s LYS 47 Cb -0.03 -0.77 0.04 0.00 -1.51 0.00 0.00 37.83 35.56 2jox s LYS 47 CO -0.01 0.18 0.05 -1.21 -0.36 0.00 0.00 175.35 174.01 2jox s GLU 48 N -1.23 0.16 -0.17 4.03 2.02 -1.26 -0.24 118.70 122.01 2jox s GLU 48 Ca -0.01 0.13 0.01 0.00 0.02 0.00 0.00 54.97 55.12 2jox s GLU 48 Cb -0.08 -1.11 0.01 0.00 0.10 0.00 0.00 34.13 33.06 2jox s GLU 48 CO 0.01 -0.45 -0.19 -1.21 0.02 0.00 0.00 175.26 173.45 2jox s GLU 49 N 2.10 3.05 -0.61 1.61 2.02 -0.38 -4.90 118.70 121.59 2jox s GLU 49 Ca 0.04 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.22 2jox s GLU 49 Cb -0.14 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.51 2jox s GLU 49 CO -0.06 -0.15 0.00 -3.47 0.02 0.00 0.00 175.26 171.60 2jox n ASP 50 N 4.48 -1.61 0.00 -0.19 2.03 -1.26 -0.49 116.55 119.51 2jox n ASP 50 Ca -0.20 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2jox n ASP 50 Cb 0.51 -1.75 0.00 0.00 -0.72 0.00 0.00 41.12 39.16 2jox n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jox n GLY 51 N -0.15 2.11 3.74 0.27 0.00 -1.26 -4.98 105.19 104.91 2jox n GLY 51 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 2jox n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jox s GLU 52 N -0.06 4.60 -0.11 1.61 2.12 0.35 -4.45 118.70 122.76 2jox s GLU 52 Ca 0.00 1.74 0.03 0.00 0.36 0.00 0.00 54.97 57.10 2jox s GLU 52 Cb 0.00 -3.26 -0.00 0.00 0.26 0.00 0.00 34.13 31.13 2jox s GLU 52 CO 0.00 0.09 -0.20 -1.21 -0.54 0.00 0.00 175.26 173.40 2jox s GLU 53 N -0.57 3.17 -0.02 4.30 2.02 0.82 -1.25 118.70 127.16 2jox s GLU 53 Ca 0.49 -0.81 0.06 0.00 0.02 0.00 0.00 54.97 54.73 2jox s GLU 53 Cb -0.30 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 31.50 2jox s GLU 53 CO 0.36 0.19 -0.21 0.42 0.02 0.00 0.00 175.26 176.04 2jox s ILE 54 N 0.36 1.68 -0.11 -1.63 1.09 0.67 -0.24 121.20 123.01 2jox s ILE 54 Ca -0.16 -0.90 -0.01 0.00 -1.10 0.00 0.00 60.65 58.48 2jox s ILE 54 Cb -0.17 -1.40 0.03 0.00 -1.06 0.00 0.00 42.46 39.86 2jox s ILE 54 CO 0.08 0.48 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.67 2jox s VAL 55 N -0.45 0.71 -0.06 2.92 1.01 0.59 -0.82 120.40 124.31 2jox s VAL 55 Ca 0.07 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.90 2jox s VAL 55 Cb -0.09 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 2jox s VAL 55 CO -0.00 0.22 -0.22 0.42 0.00 0.00 0.00 175.10 175.51 2jox s THR 56 N 1.82 1.85 0.02 3.92 -4.23 -0.57 -0.75 115.64 117.71 2jox s THR 56 Ca 0.04 -0.95 -0.00 0.00 -1.18 0.00 0.00 61.69 59.59 2jox s THR 56 Cb -0.13 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.13 2jox s THR 56 CO -0.07 0.52 0.04 0.00 -0.54 0.00 0.00 174.62 174.57 2jox n TYR 57 N 3.07 -0.74 -4.02 3.99 4.11 -0.22 -0.60 117.16 122.75 2jox n TYR 57 Ca -0.18 -0.13 -0.08 0.00 -0.00 0.00 0.00 57.90 57.52 2jox n TYR 57 Cb 0.52 0.04 -0.10 0.00 -0.00 0.00 0.00 39.34 39.81 2jox n TYR 57 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2jox s ASP 58 N -1.13 0.36 -0.03 9.48 1.11 -1.23 -1.03 116.67 124.20 2jox s ASP 58 Ca 0.01 -0.82 0.03 0.00 0.18 0.00 0.00 52.55 51.95 2jox s ASP 58 Cb -0.00 0.22 -0.03 0.00 1.07 0.00 0.00 42.92 44.17 2jox s ASP 58 CO 0.01 -0.57 -0.11 -1.00 1.18 0.00 0.00 175.17 174.67 2jox s HIS 59 N -3.46 2.79 -0.03 4.23 3.76 -0.06 -3.14 115.29 119.38 2jox s HIS 59 Ca 0.02 -0.10 0.02 0.00 -0.15 0.00 0.00 55.06 54.86 2jox s HIS 59 Cb 0.04 -1.63 0.01 0.00 1.11 0.00 0.00 32.58 32.11 2jox s HIS 59 CO -0.08 0.27 -0.08 -0.51 -0.85 0.00 0.00 174.74 173.49 2jox s LEU 60 N -0.99 1.71 0.07 0.89 1.02 -0.07 -0.69 118.68 120.63 2jox s LEU 60 Ca 0.13 -0.18 -0.31 0.00 0.02 0.00 0.00 54.13 53.80 2jox s LEU 60 Cb -0.11 -0.53 -0.10 0.00 0.02 0.00 0.00 46.19 45.48 2jox s LEU 60 CO 0.03 0.04 1.92 0.00 0.02 0.00 0.00 176.35 178.36 2jox n LYS 62 N 6.70 0.10 -0.05 0.00 3.00 -1.10 -0.45 118.16 126.36 2jox n LYS 62 Ca 0.19 0.54 -0.05 0.00 -0.00 0.00 0.00 58.31 59.00 2jox n LYS 62 Cb 0.39 -1.80 -0.02 0.00 0.00 0.00 0.00 35.03 33.61 2jox n LYS 62 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2jox n ASN 63 N -2.01 1.27 -0.50 3.14 5.15 -1.26 -4.73 115.26 116.32 2jox n ASN 63 Ca -0.00 0.34 0.11 0.00 -0.60 0.00 0.00 54.58 54.43 2jox n ASN 63 Cb 0.07 -0.70 0.04 0.00 -0.53 0.00 0.00 39.78 38.66 2jox n ASN 63 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jox n HIS 65 N -0.00 -0.36 -2.17 0.00 8.25 0.40 -4.95 115.22 116.39 2jox n HIS 65 Ca 0.10 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.19 2jox n HIS 65 Cb 0.47 -2.70 0.00 0.00 1.12 0.00 0.00 29.99 28.88 2jox n HIS 65 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jox s HIS 66 N -2.22 2.73 -0.57 4.41 5.65 -1.26 -4.60 115.29 119.43 2jox s HIS 66 Ca 0.00 1.51 -0.28 0.00 0.25 0.00 0.00 55.06 56.54 2jox s HIS 66 Cb 0.00 -3.44 0.01 0.00 -1.18 0.00 0.00 32.58 27.97 2jox s HIS 66 CO 0.00 -1.77 1.44 0.08 -0.65 0.00 0.00 174.74 173.84 2jox s VAL 67 N -1.54 3.76 0.13 0.89 1.01 -1.26 -1.40 120.40 121.98 2jox s VAL 67 Ca 0.67 0.63 -0.17 0.00 0.00 0.00 0.00 61.98 63.11 2jox s VAL 67 Cb -0.30 -4.42 -0.03 0.00 0.00 0.00 0.00 36.38 31.64 2jox s VAL 67 CO 0.36 -1.17 1.73 0.40 0.00 0.00 0.00 175.10 176.41 2jox h ILE 68 N 6.39 1.14 -2.73 2.22 2.04 -1.25 -3.36 117.51 121.96 2jox h ILE 68 Ca -0.27 -0.37 0.10 0.00 1.00 0.00 0.00 64.86 65.32 2jox h ILE 68 Cb 1.09 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 37.89 2jox h ILE 68 CO 1.18 0.14 0.33 0.00 0.00 0.00 0.00 178.15 179.80 2jox s ALA 69 N -5.83 -1.43 -0.03 1.87 0.00 -1.23 -3.45 121.76 111.66 2jox s ALA 69 Ca -0.13 -0.03 0.06 0.00 0.00 0.00 0.00 51.96 51.86 2jox s ALA 69 Cb 0.09 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 2jox s ALA 69 CO 0.72 -1.00 -0.20 1.03 0.00 0.00 0.00 175.76 176.31 2jox s ARG 70 N -3.64 2.29 -0.02 0.00 3.00 -1.26 -0.88 118.95 118.44 2jox s ARG 70 Ca 0.10 -0.82 0.06 0.00 0.00 0.00 0.00 55.73 55.08 2jox s ARG 70 Cb -0.04 -2.20 -0.01 0.00 0.00 0.00 0.00 34.95 32.70 2jox s ARG 70 CO 0.03 0.59 -0.22 -1.58 0.00 0.00 0.00 175.30 174.12 2jox s HIS 71 N -0.68 1.97 -0.02 -0.53 2.46 -0.20 -2.79 115.29 115.51 2jox s HIS 71 Ca 0.11 -0.41 -0.00 0.00 0.47 0.00 0.00 55.06 55.22 2jox s HIS 71 Cb -0.10 -1.28 0.03 0.00 -0.13 0.00 0.00 32.58 31.10 2jox s HIS 71 CO -0.00 -0.06 0.03 -2.00 -2.47 0.00 0.00 174.74 170.24 2jox s GLU 72 N -0.42 -0.03 -0.08 2.88 2.12 -0.02 -1.06 118.70 122.09 2jox s GLU 72 Ca 0.06 0.18 0.01 0.00 0.36 0.00 0.00 54.97 55.59 2jox s GLU 72 Cb -0.09 -0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.09 2jox s GLU 72 CO -0.00 -0.16 -0.10 -0.47 -0.54 0.00 0.00 175.26 174.00 2jox s TYR 73 N 0.99 1.35 -0.03 5.30 5.04 0.07 -0.30 117.35 129.77 2jox s TYR 73 Ca -0.08 -0.54 0.04 0.00 -2.44 0.00 0.00 57.07 54.04 2jox s TYR 73 Cb -0.12 -1.05 -0.00 0.00 0.35 0.00 0.00 41.96 41.14 2jox s TYR 73 CO -0.03 -0.33 -0.14 0.95 -1.34 0.00 0.00 175.55 174.66 2jox s THR 74 N 1.01 1.14 -0.08 4.34 -4.23 0.35 -0.30 115.64 117.87 2jox s THR 74 Ca -0.08 -0.56 0.02 0.00 -1.18 0.00 0.00 61.69 59.88 2jox s THR 74 Cb -0.15 -0.99 0.02 0.00 1.34 0.00 0.00 72.50 72.72 2jox s THR 74 CO -0.00 0.34 -0.12 0.12 -0.54 0.00 0.00 174.62 174.42 2jox s PHE 75 N 0.08 1.50 0.02 3.99 5.36 0.67 -0.70 117.98 128.89 2jox s PHE 75 Ca -0.03 -0.60 0.05 0.00 -0.96 0.00 0.00 56.93 55.39 2jox s PHE 75 Cb -0.10 -1.12 -0.02 0.00 -0.34 0.00 0.00 43.02 41.44 2jox s PHE 75 CO 0.01 -0.34 -0.15 -1.12 -1.46 0.00 0.00 175.22 172.17 2jox s SER 76 N 0.88 1.78 -0.22 6.13 0.01 0.25 -0.13 113.70 122.41 2jox s SER 76 Ca -0.10 -0.37 -0.05 0.00 1.31 0.00 0.00 55.95 56.74 2jox s SER 76 Cb -0.15 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 65.90 2jox s SER 76 CO 0.01 0.12 -0.01 -0.63 0.41 0.00 0.00 173.24 173.14 2jox s ILE 77 N -0.60 3.71 -0.22 1.44 1.01 -1.26 0.22 121.20 125.50 2jox s ILE 77 Ca 0.04 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.32 2jox s ILE 77 Cb -0.07 -2.69 0.04 0.00 0.01 0.00 0.00 42.46 39.75 2jox s ILE 77 CO 0.00 0.41 -0.15 0.00 0.00 0.00 0.00 174.94 175.21 2jox s MET 78 N 1.31 2.70 0.00 2.79 0.23 -0.49 -4.90 119.30 120.94 2jox s MET 78 Ca 0.04 -1.03 0.00 0.00 -1.03 0.00 0.00 55.69 53.66 2jox s MET 78 Cb -0.15 -2.73 0.00 0.00 -1.53 0.00 0.00 34.83 30.42 2jox s MET 78 CO -0.00 -0.36 0.00 -3.47 -2.03 0.00 0.00 175.02 169.16 2jox n ASP 79 N 4.56 0.00 0.00 -1.18 2.03 -1.26 -0.67 116.55 120.02 2jox n ASP 79 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2jox n ASP 79 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 2jox n ASP 79 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jox n GLU 80 N 0.00 0.27 -4.40 -0.67 1.02 -1.26 -5.11 120.64 110.50 2jox n GLU 80 Ca 0.00 -0.45 -0.20 0.00 -0.02 0.00 0.00 57.16 56.49 2jox n GLU 80 Cb 0.00 -0.60 -0.10 0.00 -0.02 0.00 0.00 31.44 30.72 2jox n GLU 80 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2jox s PHE 81 N -0.12 1.76 0.03 -0.32 0.08 0.15 -0.52 117.98 119.03 2jox s PHE 81 Ca 0.00 -1.10 0.08 0.00 0.12 0.00 0.00 56.93 56.02 2jox s PHE 81 Cb 0.00 -1.09 -0.02 0.00 -0.57 0.00 0.00 43.02 41.33 2jox s PHE 81 CO 0.00 -0.19 -0.23 -0.65 -0.10 0.00 0.00 175.22 174.05 2jox s GLN 82 N -3.93 1.64 -0.09 0.44 -0.21 0.94 -1.40 119.66 117.06 2jox s GLN 82 Ca 0.36 -0.97 0.04 0.00 0.02 0.00 0.00 55.36 54.81 2jox s GLN 82 Cb 0.08 -1.74 0.00 0.00 1.00 0.00 0.00 33.01 32.35 2jox s GLN 82 CO 0.15 0.45 -0.21 -1.21 -2.12 0.00 0.00 175.29 172.35 2jox s GLU 83 N -1.04 2.73 -0.10 2.91 2.02 0.13 -0.53 118.70 124.83 2jox s GLU 83 Ca 0.09 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.34 2jox s GLU 83 Cb -0.09 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.05 2jox s GLU 83 CO 0.01 0.15 -0.21 0.71 0.02 0.00 0.00 175.26 175.94 2jox s TYR 84 N 0.41 2.28 0.00 1.61 1.51 0.31 -0.58 117.35 122.90 2jox s TYR 84 Ca -0.18 -0.95 0.00 0.00 -1.01 0.00 0.00 57.07 54.93 2jox s TYR 84 Cb -0.17 -1.56 -0.00 0.00 -0.11 0.00 0.00 41.96 40.12 2jox s TYR 84 CO 0.08 -0.41 -0.01 0.95 -1.11 0.00 0.00 175.55 175.05 2jox s THR 85 N 0.49 0.04 0.02 -0.71 -4.23 0.12 -0.81 115.64 110.56 2jox s THR 85 Ca -0.16 -0.21 0.01 0.00 -1.18 0.00 0.00 61.69 60.15 2jox s THR 85 Cb -0.17 -0.08 -0.01 0.00 1.34 0.00 0.00 72.50 73.58 2jox s THR 85 CO 0.06 -0.11 -0.04 -0.32 -0.54 0.00 0.00 174.62 173.67 2jox s MET 86 N -0.33 0.34 -0.27 3.99 0.00 0.08 -0.50 119.30 122.62 2jox s MET 86 Ca -0.03 -0.44 -0.00 0.00 0.00 0.00 0.00 55.69 55.21 2jox s MET 86 Cb -0.02 -0.15 0.15 0.00 0.00 0.00 0.00 34.83 34.80 2jox s MET 86 CO -0.00 0.03 0.40 -1.17 0.00 0.00 0.00 175.02 174.27 2jox s LEU 87 N -0.91 -0.71 -0.04 4.11 2.96 0.58 -1.14 118.68 123.54 2jox s LEU 87 Ca -0.07 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 53.73 2jox s LEU 87 Cb -0.06 1.12 0.02 0.00 0.50 0.00 0.00 46.19 47.76 2jox s LEU 87 CO -0.00 -0.33 0.09 0.00 -1.32 0.00 0.00 176.35 174.79 2jox h LEU 89 N 6.42 0.46 0.00 0.00 5.85 -1.82 -1.65 115.31 124.57 2jox h LEU 89 Ca -0.31 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2jox h LEU 89 Cb 1.18 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2jox h LEU 89 CO 0.46 0.32 -0.60 -0.11 -0.34 0.00 0.00 178.44 178.17 2jox n LEU 90 N -4.47 1.37 -0.14 2.25 7.94 -1.26 -2.12 117.00 120.56 2jox n LEU 90 Ca 0.05 0.34 -0.05 0.00 -1.11 0.00 0.00 56.01 55.24 2jox n LEU 90 Cb 0.13 -0.71 0.14 0.00 0.53 0.00 0.00 43.42 43.51 2jox n LEU 90 CO 0.35 -0.39 0.91 0.00 -1.11 0.00 0.00 177.39 177.15 2jox n GLY 92 N -0.68 1.96 3.25 0.00 0.00 -0.62 -4.77 105.19 104.33 2jox n GLY 92 Ca 0.03 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 2jox n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jox s LYS 93 N -1.53 3.03 0.05 1.61 2.20 -0.21 -0.80 119.74 124.10 2jox s LYS 93 Ca 0.00 -0.85 -0.05 0.00 -0.36 0.00 0.00 55.97 54.70 2jox s LYS 93 Cb 0.00 -3.05 -0.02 0.00 -1.51 0.00 0.00 37.83 33.25 2jox s LYS 93 CO 0.00 -0.35 0.09 0.00 -0.36 0.00 0.00 175.35 174.73 2jox s ALA 94 N 1.40 0.02 -0.13 3.13 0.00 -0.29 -3.99 121.76 121.90 2jox s ALA 94 Ca 0.02 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 2jox s ALA 94 Cb -0.16 0.31 0.04 0.00 0.00 0.00 0.00 23.12 23.31 2jox s ALA 94 CO -0.03 -0.38 0.34 -2.00 0.00 0.00 0.00 175.76 173.69 2jox s GLU 95 N -3.22 0.39 0.02 0.00 2.12 -1.26 -0.74 118.70 116.01 2jox s GLU 95 Ca 0.00 0.50 -0.03 0.00 0.36 0.00 0.00 54.97 55.80 2jox s GLU 95 Cb 0.02 0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.56 2jox s GLU 95 CO -0.07 -0.06 0.03 0.34 -0.54 0.00 0.00 175.26 174.96 2jox s ASP 96 N 0.32 0.22 -0.02 -1.70 2.15 0.01 -4.59 116.67 113.06 2jox s ASP 96 Ca -0.01 -0.52 0.01 0.00 0.43 0.00 0.00 52.55 52.46 2jox s ASP 96 Cb -0.03 0.16 0.01 0.00 -0.30 0.00 0.00 42.92 42.76 2jox s ASP 96 CO -0.01 -0.40 -0.03 -0.89 -0.17 0.00 0.00 175.17 173.67 2jox s THR 97 N -2.03 0.36 -0.12 1.71 2.01 -1.26 -0.53 115.64 115.78 2jox s THR 97 Ca -0.10 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 61.83 2jox s THR 97 Cb -0.05 -0.37 0.01 0.00 0.01 0.00 0.00 72.50 72.10 2jox s THR 97 CO -0.03 0.15 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.23 2jox s ILE 98 N 0.50 1.83 0.03 1.82 1.01 0.31 -4.96 121.20 121.73 2jox s ILE 98 Ca -0.06 -0.85 -0.26 0.00 0.00 0.00 0.00 60.65 59.48 2jox s ILE 98 Cb -0.09 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.71 2jox s ILE 98 CO -0.01 0.51 0.81 -0.94 0.00 0.00 0.00 174.94 175.32 2jox s SER 99 N 0.79 7.24 0.38 3.58 1.04 -1.26 -0.04 113.70 125.42 2jox s SER 99 Ca -0.09 1.48 0.05 0.00 0.48 0.00 0.00 55.95 57.87 2jox s SER 99 Cb -0.16 -2.49 -0.02 0.00 0.10 0.00 0.00 66.02 63.45 2jox s SER 99 CO 0.00 -0.06 0.19 0.27 0.98 0.00 0.00 173.24 174.62 2jox s ILE 100 N 0.27 0.34 0.09 -1.02 -5.25 0.32 -4.76 121.20 111.19 2jox s ILE 100 Ca 0.42 -2.00 -0.01 0.00 -0.99 0.00 0.00 60.65 58.07 2jox s ILE 100 Cb -0.20 -2.38 -0.04 0.00 2.95 0.00 0.00 42.46 42.78 2jox s ILE 100 CO 0.24 0.00 0.00 -0.76 -1.79 0.00 0.00 174.94 172.63 2jox s LEU 101 N -3.52 2.21 0.55 0.37 1.43 -1.26 -4.70 118.68 113.74 2jox s LEU 101 Ca 0.29 -1.09 0.37 0.00 -1.03 0.00 0.00 54.13 52.68 2jox s LEU 101 Cb 0.02 0.21 1.95 0.00 0.03 0.00 0.00 46.19 48.41 2jox s LEU 101 CO 0.19 -0.64 2.12 1.55 0.23 0.00 0.00 176.35 179.80 2jox h PRO 102 N 3.02 0.00 0.00 1.29 0.13 -2.00 -1.49 132.00 132.95 2jox h PRO 102 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2jox h PRO 102 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2jox h PRO 102 CO 0.63 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.15 2jox n ASP 103 N -2.81 0.00 -3.62 1.44 8.00 -1.26 -4.96 116.55 113.33 2jox n ASP 103 Ca -0.02 -0.77 -0.29 0.00 0.71 0.00 0.00 54.79 54.42 2jox n ASP 103 Cb 0.08 -0.02 0.05 0.00 -0.02 0.00 0.00 41.12 41.21 2jox n ASP 103 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2jox n ASP 104 N -1.02 -5.54 0.23 -2.24 2.03 -0.56 -4.93 116.55 104.52 2jox n ASP 104 Ca 0.19 -0.97 0.09 0.00 0.52 0.00 0.00 54.79 54.63 2jox n ASP 104 Cb 0.10 -3.59 0.53 0.00 -0.72 0.00 0.00 41.12 37.44 2jox n ASP 104 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2jox h PRO 105 N -1.75 0.00 -5.18 -0.67 0.13 -1.93 -3.47 132.00 119.13 2jox h PRO 105 Ca -0.65 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.43 2jox h PRO 105 Cb 1.35 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.45 2jox h PRO 105 CO 0.47 0.23 -0.08 2.89 -0.23 0.00 0.00 178.00 181.28 2jox n ARG 106 N -3.59 -2.81 0.00 0.86 1.85 -1.26 -5.11 116.66 106.59 2jox n ARG 106 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2jox n ARG 106 Cb 0.36 -4.52 0.00 0.00 -1.05 0.00 0.00 32.46 27.25 2jox n ARG 106 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66